N-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine

C13H17ClFN — CID 28565044

IUPACN-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine
SMILESFc1ccc(CNC2CCCCC2)c(Cl)c1
InChIInChI=1S/C13H17ClFN/c14-13-8-11(15)7-6-10(13)9-16-12-4-2-1-3-5-12/h6-8,12,16H,1-5,9H2
InChIKeyXSBMDLKRKUMWNH-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.90
Rot. Bonds3

About N-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine

N-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine (PubChem CID 28565044) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine
PubChem CID28565044
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine
SMILESFc1ccc(CNC2CCCCC2)c(Cl)c1
InChIInChI=1S/C13H17ClFN/c14-13-8-11(15)7-6-10(13)9-16-12-4-2-1-3-5-12/h6-8,12,16H,1-5,9H2
InChIKeyXSBMDLKRKUMWNH-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-4-fluorophenyl)methyl]thian-4-amine
CID 115732355
2-[(2-chloro-4-fluorophenyl)methylamino]cyclohexan-1-ol
CID 62359472
2-[(cyclooctylamino)methyl]-4-fluorophenol
CID 103947924
N-[(2-chloro-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115732712
N-[(4-bromo-2-chlorophenyl)methyl]cyclopentanamine
CID 60984566
2-[(cyclobutylamino)methyl]-5-fluorophenol
CID 117220815
N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclooctanamine
CID 17056803
N-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)cyclohexan-1-amine
CID 106365244
N-[[2-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]cycloheptanamine
CID 66534939
N-[[2-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclooctanamine
CID 66533181
N-[[1-[(2-chloro-4-fluorophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 55048857
2-[(cycloheptylamino)methyl]-4-fluorobenzonitrile
CID 107903846

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine (CID 28565044) is N-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine is Fc1ccc(CNC2CCCCC2)c(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine?
The InChIKey is XSBMDLKRKUMWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c14-13-8-11(15)7-6-10(13)9-16-12-4-2-1-3-5-12/h6-8,12,16H,1-5,9H2.
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine?
N-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine has a molecular weight of 241.74 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine is sourced from PubChem (CID 28565044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).